CID 13570105

6836-22-2

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC1=CC2=C(C=CC=C2CC(=O)O)C=C1

InChI

InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)

InChIKey

GJPYHKXILUFWKV-UHFFFAOYSA-N

Compound name

2-(7-methoxynaphthalen-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 216.07864 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.08592	145.4
[M+Na]+	239.06786	159.1
[M+NH4]+	234.11246	153.9
[M+K]+	255.04180	152.5
[M-H]-	215.07136	147.6
[M+Na-2H]-	237.05331	151.9
[M]+	216.07809	147.9
[M]-	216.07919	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe